High performance modeling of heterogeneous SOFC electrode microstructures using the MOOSE framework: ERMINE (Electrochemical Reactions in MIcrostructural NEtworks)
| Autor: | William K. Epting, Gregory A. Hackett, Paul A. Salvador, Harry Abernathy, Anthony D. Rollett, Shawn Litster, Tim Hsu, Jerry Hunter Mason, Rubayyat Mahbub |
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| Jazyk: | angličtina |
| Rok vydání: | 2020 |
| Předmět: |
Materials science
Computation Clinical Biochemistry ComputingMethodologies_IMAGEPROCESSINGANDCOMPUTERVISION Mechanical engineering Boundary (topology) 010501 environmental sciences 01 natural sciences 03 medical and health sciences High performance computation Finite element Fuel cells lcsh:Science Electrodes 030304 developmental biology 0105 earth and related environmental sciences 0303 health sciences Energy Microstructure Supercomputer Electrochemical energy conversion Finite element method Medical Laboratory Technology Electrode Solid oxide fuel cell lcsh:Q Microstructures |
| Zdroj: | MethodsX, Vol 7, Iss, Pp 100822-(2020) MethodsX |
| ISSN: | 2215-0161 |
| Popis: | Electrochemical energy devices, such as batteries and fuel cells, contain active electrode components that have highly porous, multiphase microstructures for improved performance. Predictive electrochemical models of solid oxide fuel cell (SOFC) electrode performance based on measured microstructures have been limited to small length scales, a small number of simulations, and/or relatively homogeneous microstructures. To overcome the difficulty in modeling electrochemical activity of inhomogeneous microstructures at considerable length scales, we have developed a high-throughput simulation application that operates on high-performance computing platforms. The open-source application, named Electrochemical Reactions in MIcrostructural NEtworks (ERMINE), is implemented within the MOOSE computational framework, and solves species transport coupled to both three-phase boundary and two-phase boundary electrochemical reactions. As the core component, this application is further incorporated into a high-throughput computational workflow. The main advantages of the workflow include:•Straightforward image-based volumetric meshing that conforms to complex, multi-phased microstructural features•Computation of local electrochemical fields in morphology-resolved microstructures at considerable length scales•Implementation on high performance computing platforms, leading to fast, high-throughput computations Graphical abstract Image, graphical abstract |
| Databáze: | OpenAIRE |
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